phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate

C28H29N5O6 — CID 23072199

IUPACphenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
SMILESCCN(CC)CCNC(=O)n1ccc2cc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)ccc21
InChIInChI=1S/C28H29N5O6/c1-3-32(4-2)17-15-30-26(34)33-16-13-20-18-22(10-11-24(20)33)37-23-12-14-29-25(19-23)39-28(36)31-27(35)38-21-8-6-5-7-9-21/h5-14,16,18-19H,3-4,15,17H2,1-2H3,(H,30,34)(H,31,35,36)
InChIKeyGFRDPOJUPRMFBZ-UHFFFAOYSA-N
MW531.57 g/mol
LogP5.02
Rot. Bonds9

About phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate

phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate (PubChem CID 23072199) has the molecular formula C28H29N5O6 and a molecular weight of 531.57 g/mol. Its IUPAC name is phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
PubChem CID23072199
Molecular FormulaC28H29N5O6
Molecular Weight531.57 g/mol
Exact Mass531.21
IUPAC Namephenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
SMILESCCN(CC)CCNC(=O)n1ccc2cc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)ccc21
InChIInChI=1S/C28H29N5O6/c1-3-32(4-2)17-15-30-26(34)33-16-13-20-18-22(10-11-24(20)33)37-23-12-14-29-25(19-23)39-28(36)31-27(35)38-21-8-6-5-7-9-21/h5-14,16,18-19H,3-4,15,17H2,1-2H3,(H,30,34)(H,31,35,36)
InChIKeyGFRDPOJUPRMFBZ-UHFFFAOYSA-N
XLogP5.02
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The IUPAC name of phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate (CID 23072199) is phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate.
What is the SMILES notation for phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The canonical SMILES for phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate is CCN(CC)CCNC(=O)n1ccc2cc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)ccc21.
What is the InChIKey of phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The InChIKey is GFRDPOJUPRMFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O6/c1-3-32(4-2)17-15-30-26(34)33-16-13-20-18-22(10-11-24(20)33)37-23-12-14-29-25(19-23)39-28(36)31-27(35)38-21-8-6-5-7-9-21/h5-14,16,18-19H,3-4,15,17H2,1-2H3,(H,30,34)(H,31,35,36).
What are the key properties of phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate has a molecular weight of 531.57 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-[1-[2-(diethylamino)ethylcarbamoyl]indol-5-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate is sourced from PubChem (CID 23072199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).